Geometry & MOs

Info

ID:	56761
PubChem CID:	22389484
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	368.993756
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	0.99
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-phenyl-3-(2,2,2-trichloroethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=COC2=CN=C(C=C21)C(=O)NC3CC4CC3CN4

DOS

IR

Vibrations